N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide

C15H19NO3 — CID 103714393

IUPACN-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1ccc(O)cc1O
InChIInChI=1S/C15H19NO3/c17-11-5-6-12(14(18)7-11)15(19)16-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,17-18H,1-4,8H2,(H,16,19)
InChIKeyRJDSKWMVNBNEAN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.26
Rot. Bonds5

About N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide

N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide (PubChem CID 103714393) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
PubChem CID103714393
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1ccc(O)cc1O
InChIInChI=1S/C15H19NO3/c17-11-5-6-12(14(18)7-11)15(19)16-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,17-18H,1-4,8H2,(H,16,19)
InChIKeyRJDSKWMVNBNEAN-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
CID 107726046
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide (CID 103714393) is N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide is O=C(NCC(C1CC1)C1CC1)c1ccc(O)cc1O.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide?
The InChIKey is RJDSKWMVNBNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-11-5-6-12(14(18)7-11)15(19)16-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,17-18H,1-4,8H2,(H,16,19).
What are the key properties of N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide?
N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 103714393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).